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"id": "mp-1521059",
"created_at": "2022-09-04T14:42:25.354961Z",
"structure_string": "Sr1 Ca1 Al1 Bi1 O6\n1.0\n-0.000000 -4.000713 -4.000713\n4.000713 0.000000 -4.000713\n4.000713 -4.000713 0.000000\nSr Ca Al Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 -0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.761323 0.238677 0.238677 O\n0.238677 0.761323 0.761323 O\n0.761323 0.238677 0.761323 O\n0.238677 0.761323 0.238677 O\n0.761323 0.761323 0.238677 O\n0.238677 0.238677 0.761323 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Ca-O-Sr",
"density": 5.959916331110813,
"density_atomic": 0.07808323754544959,
"volume": 128.06846020158093,
"volume_molar": 7.712462942503784,
"formula_full": "Sr1 Ca1 Al1 Bi1 O6",
"formula_reduced": "SrCaAlBiO6",
"formula_anonymous": "ABCDE6",
"energy": -66.867662,
"energy_per_atom": -6.686766199999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.74566200000001,
"band_gap": 0.0110000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.271000Z",
"spacegroup": 216
}
]
}